SCHEMBL2949342

SCHEMBL2949342

O=c1nc(-c2cccc(SCCc3ccccc3)n2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
GABRA1 P14867 1/20 0.52
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2961512 0.94 MIF (0.49) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2959169 0.89 MIF (0.53) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2953102 0.87 MIF (0.53) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2955422 0.84 MIF (0.53) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2961631 0.84 MIF (0.56) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2952904 0.84 MIF (0.50) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2952863 0.84 HTR7 (0.55) MIFGABRA1ALDH1A1NPSR1HTR1A
SCHEMBL2954300 0.84 MIF (0.50) MIFGABRA1ALDH1A1NPSR1HTR1A
SCHEMBL2956534 0.80 MIF (0.51) MIFGABRA1ALDH1A1NPSR1CYP1A2
SCHEMBL2963187 0.80 MIF (0.59) MIFGABRA1ALDH1A1NPSR1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885ALDH1A1 273/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885ALDH1A1 273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.